1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole

C13H21N3 — CID 84685100

IUPAC1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole
SMILESc1cc(CC2CCNC2)n(CC2CCC2)n1
InChIInChI=1S/C13H21N3/c1-2-11(3-1)10-16-13(5-7-15-16)8-12-4-6-14-9-12/h5,7,11-12,14H,1-4,6,8-10H2
InChIKeyKFILGHYKJYUPAX-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.84
Rot. Bonds4

About 1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole

1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole (PubChem CID 84685100) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole
PubChem CID84685100
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole
SMILESc1cc(CC2CCNC2)n(CC2CCC2)n1
InChIInChI=1S/C13H21N3/c1-2-11(3-1)10-16-13(5-7-15-16)8-12-4-6-14-9-12/h5,7,11-12,14H,1-4,6,8-10H2
InChIKeyKFILGHYKJYUPAX-UHFFFAOYSA-N
XLogP1.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 114557866
2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine
CID 84685102
1-[2-(cyclobutylmethyl)pyrazol-3-yl]-N-methylmethanamine
CID 84768012
1-(cyclobutylmethyl)-5-pyrrolidin-2-ylpyrazole
CID 84778724
2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine
CID 84787046
4-[[2-(3-methoxypropyl)pyrazol-3-yl]methyl]piperidine
CID 114278042
2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethanamine
CID 84652253
1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole
CID 84778729
1-(cyclobutylmethyl)-5-pyrrolidin-3-yl-1,2,4-triazole
CID 84674604
5-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 142415541
2-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 103542541
5-methyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115013206

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole?
The IUPAC name of 1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole (CID 84685100) is 1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole.
What is the SMILES notation for 1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole?
The canonical SMILES for 1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole is c1cc(CC2CCNC2)n(CC2CCC2)n1.
What is the InChIKey of 1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole?
The InChIKey is KFILGHYKJYUPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-11(3-1)10-16-13(5-7-15-16)8-12-4-6-14-9-12/h5,7,11-12,14H,1-4,6,8-10H2.
What are the key properties of 1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole?
1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole has a molecular weight of 219.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole is sourced from PubChem (CID 84685100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).